Ioxabrolic Acid

3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-tribromo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid

Also Known As: Ioxabrolic acid|acido ioxabrolico|Ioxabrolicacid|acide ioxabrolique|Ioxabrolic acid [INN]|acidum ioxabrolicum|3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-tribromo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid|N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-tribromo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid|3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-tribromo-5-(methylcarb|3-[(2-Hydroxyethyl)carbamoyl]-2,4,6-triiodo-5-({N-[2,4,6-tribromo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzoyl]glycyl}amino)benzoic acid|N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-tribromo-3-(N-methyl-acetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid.

Molecular Formula	C24H21Br3I3N5O8
Molecular Weight	1124.6074 g/mol
LogP	3.919
Topological Polar Surface Area	194.24 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	7
Rotatable Bonds	10
Exact Mass	1124.6074
Monoisotopic Mass	1126.6053
Heavy Atoms	43
Complexity	1557.5184

Chemical Identifiers

CAS Number	96191-65-0
SMILES	CC(=O)N(C)C1=C(C(=C(C(=C1Br)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)Br)C(=O)NC)Br